LIPID MAPS

Structure Database (LMSD)

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Common Name

Salvurmin B

Systematic Name

3-oxo-30-hydroxy-urs-1,9,12-triene

Synonyms

LM ID

LMPR0106180031

Formula

C₃₀H₄₄O₂

Exact Mass

Calculate m/z

436.33413

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Salvia urmiensis (#2490792)

Magnoliopsida (#3398)

Triterpenoids.,
Nat Prod Rep, 2000

Pubmed ID: 11072894

String Representations

InChiKey (Click to copy)

FVDQDIJTPFIXPB-UYMQOYBOSA-N

InChi (Click to copy)

InChI=1S/C30H44O2/c1-19-20(18-31)10-13-27(4)16-17-29(6)21(25(19)27)8-9-23-28(5)14-12-24(32)26(2,3)22(28)11-15-30(23,29)7/h8-9,12,14,19-20,22,25,31H,10-11,13,15-18H2,1-7H3/t19-,20-,22?,25+,27+,28-,29+,30+/m0/s1

SMILES (Click to copy)

C1=C[C@]2(C)C3=CC=C4[C@@]5([H])[C@@H](C)[C@H](CO)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CCC2C(C)(C)C1=O

Other Databases

PubChem CID

171121072

Calculated Physicochemical Properties

Heavy Atoms 32

Rings 5

Aromatic Rings

Rotatable Bonds 1

Van der Waals Molecular Volume 472.78

Topological Polar Surface Area 37.30

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 2

logP 7.19

Molar Refractivity 131.43

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Created at

12th Oct 2021

Updated at